1-carbamothioyl-N-(2-ethylsulfinylethyl)cyclohexane-1-carboxamide

C12H22N2O2S2 — CID 113494789

IUPAC1-carbamothioyl-N-(2-ethylsulfinylethyl)cyclohexane-1-carboxamide
SMILESCCS(=O)CCNC(=O)C1(C(N)=S)CCCCC1
InChIInChI=1S/C12H22N2O2S2/c1-2-18(16)9-8-14-11(15)12(10(13)17)6-4-3-5-7-12/h2-9H2,1H3,(H2,13,17)(H,14,15)
InChIKeyGEFJZUNYLVQVCX-UHFFFAOYSA-N
MW290.45 g/mol
LogP1.11
Rot. Bonds6

About 1-carbamothioyl-N-(2-ethylsulfinylethyl)cyclohexane-1-carboxamide

1-carbamothioyl-N-(2-ethylsulfinylethyl)cyclohexane-1-carboxamide (PubChem CID 113494789) has the molecular formula C12H22N2O2S2 and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-carbamothioyl-N-(2-ethylsulfinylethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-carbamothioyl-N-(2-ethylsulfinylethyl)cyclohexane-1-carboxamide
PubChem CID113494789
Molecular FormulaC12H22N2O2S2
Molecular Weight290.45 g/mol
Exact Mass290.11
IUPAC Name1-carbamothioyl-N-(2-ethylsulfinylethyl)cyclohexane-1-carboxamide
SMILESCCS(=O)CCNC(=O)C1(C(N)=S)CCCCC1
InChIInChI=1S/C12H22N2O2S2/c1-2-18(16)9-8-14-11(15)12(10(13)17)6-4-3-5-7-12/h2-9H2,1H3,(H2,13,17)(H,14,15)
InChIKeyGEFJZUNYLVQVCX-UHFFFAOYSA-N
XLogP1.11
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-carbamothioyl-N-(2-ethylsulfinylethyl)cyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-carbamothioyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclohexane-1-carboxamide
CID 106428807
2-[1-(aminomethyl)cyclohexyl]-N-[2-[2-(methylamino)-2-oxoethyl]sulfanylethyl]acetamide
CID 71071932
N-(2-ethylsulfonylethyl)-2-(3,3,5-trimethylcyclohexyl)acetamide
CID 60231295
1-(aminomethyl)-N-(1,1-dioxothian-4-yl)cyclohexane-1-carboxamide
CID 61829695
1-(aminomethyl)-N-(2-methylsulfonylethyl)cyclohexane-1-carboxamide
CID 61829894
[1-(Aminomethyl)cyclohexyl]-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 61829928
1-(aminomethyl)-N-(2-methylsulfonylethyl)cycloheptane-1-carboxamide
CID 61830084
1-(aminomethyl)-N-(3-methylsulfonylpropyl)cyclohexane-1-carboxamide
CID 61830334
1-(aminomethyl)-N-(2-sulfamoylethyl)cyclohexane-1-carboxamide
CID 61830453
1-(aminomethyl)-N-(1,1-dioxothiolan-3-yl)cyclohexane-1-carboxamide
CID 61831599
1-carbamothioyl-N-(3-methylsulfonylpropyl)cyclohexane-1-carboxamide
CID 61835141
1-carbamothioyl-N-(3-methylsulfonylpropyl)cycloheptane-1-carboxamide
CID 61835142

Frequently Asked Questions

What is the IUPAC name of 1-carbamothioyl-N-(2-ethylsulfinylethyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-carbamothioyl-N-(2-ethylsulfinylethyl)cyclohexane-1-carboxamide (CID 113494789) is 1-carbamothioyl-N-(2-ethylsulfinylethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-carbamothioyl-N-(2-ethylsulfinylethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-carbamothioyl-N-(2-ethylsulfinylethyl)cyclohexane-1-carboxamide is CCS(=O)CCNC(=O)C1(C(N)=S)CCCCC1.
What is the InChIKey of 1-carbamothioyl-N-(2-ethylsulfinylethyl)cyclohexane-1-carboxamide?
The InChIKey is GEFJZUNYLVQVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2S2/c1-2-18(16)9-8-14-11(15)12(10(13)17)6-4-3-5-7-12/h2-9H2,1H3,(H2,13,17)(H,14,15).
What are the key properties of 1-carbamothioyl-N-(2-ethylsulfinylethyl)cyclohexane-1-carboxamide?
1-carbamothioyl-N-(2-ethylsulfinylethyl)cyclohexane-1-carboxamide has a molecular weight of 290.45 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamothioyl-N-(2-ethylsulfinylethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 113494789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).